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Online Presentations (1-6 of 6)

Biomolecular simulation provides a means to explore biomolecular structure, dynamics and interactions on timescales from femptoseconds to milliseconds on available high performance computing computational resources. Since the first protein simulations in ~1975, atomistic molecular dynamics (MD)...

Most scientific software projects started as a quick hack on somebody's laptop, but before you know it there might be dozens of future students and postdocs involved. However, unlike 30 years ago, today few of us are only one supercomputer from a single vendor providing a single compiler. Many...

Everyone knows that all atoms are made of atomic nuclei and electrons around them, and that atomic nuclei are made of protons and neutrons bound by pions. Every scientist would know that protons and neutrons in turn are made of quarks, and are bound by gluons. Not every scientist may know,...

Alternate Title:Parallel molecular dynamics - how we evolved from 10 cores to heterogeneous GPU acceleration and petascale parallelizationMolecular dynamics has come a long way the last 20 years; what was once a small esoteric technique in theoretical physics is now a standard tool of molecular...

Modern science is undergoing a profound transformation as it aims to tackle the complex problems of the 21st Century. It is becoming highly collaborative; problems as diverse as climate change, renewable energy, or the origin of gamma-ray bursts require understanding processes that no single...